[5-azanyl-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 3-bromanylbenzoate

Systemtic Name: [5-azanyl-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 3-bromanylbenzoate Openeye Name: [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] ester Formula: C17H14BrN3O5S MolecularWeight: 452.27916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC(=CC=C3)Br)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC(=CC=C3)Br)N

InChI

InChI=1S/C17H14BrN3O5S/c1-25-13-5-7-14(8-6-13)27(23,24)21-15(19)10-16(20-21)26-17(22)11-3-2-4-12(18)9-11/h2-10H,19H2,1H3